GD036498

Name:

None

Formula:

C26H43O18N4F

Smiles:

CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CF)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCN=[N+]=[N-]

Aglycone:

OCC(O)CO.[N-]=[N+]=NCCCO

Sugarmoiety:

CC(=O)NC(OOC1OC(CF)C(O)C(OC2(C(=O)O)CC(O)C(O)C(C(O)C(O)CO)O2)C1O)C(O)OOCO

Other Identifiers

• CHEMBL4763895

AD00405

Formula: C3H8O3

Smiles:

OCC(O)CO

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.67	Num_rotatable_bonds:	2
MolWt:	92.09	Num_heavy_atoms:	6
TPSA:	60.69	NumAromaticRings:	0

AD09348

Formula: C3H7ON3

Smiles:

[N-]=[N+]=NCCCO

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.68	Num_rotatable_bonds:	3
MolWt:	101.11	Num_heavy_atoms:	7
TPSA:	68.99	NumAromaticRings:	0